REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2b1o_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVDANKVKFF FGKNCTGESF EYNKGETVRF NNGDKWNDKF MSCLVGSNVR DATA SEQUENCE CNIWEHNEID TPTPGKFQEL AQGSTNNDLT SINGLSKFQV LPGAFQWAVD DATA SEQUENCE VKIVNKVNST AGSYEMTITP YQVDKVACKD GDDFVQLPIP KLTPPDSEIV DATA SEQUENCE SHLTVRQTHT PYDYVVNGSV YFKYSPTTGQ VTVIKKDETF PKNMTVTQDD DATA SEQUENCE NTSFIFNLNS EK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 4.444 4.470 -0.044 0.000 0.327 2 S C 0.000 174.598 174.600 -0.003 0.000 1.055 2 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 2 S CB 0.000 63.190 63.200 -0.016 0.000 0.593 3 V N 3.024 122.932 119.914 -0.010 0.000 2.637 3 V HA 0.021 4.163 4.120 0.038 0.000 0.296 3 V C -0.935 175.169 176.094 0.017 0.000 1.046 3 V CA 0.769 63.077 62.300 0.014 0.000 1.066 3 V CB 0.557 32.380 31.823 0.001 0.000 0.968 3 V HN 0.358 8.530 8.190 -0.030 0.000 0.483 4 D N 5.278 125.698 120.400 0.034 0.000 2.389 4 D HA -0.060 4.591 4.640 0.018 0.000 0.247 4 D C 0.490 176.805 176.300 0.024 0.000 1.128 4 D CA 0.051 54.068 54.000 0.028 0.000 0.884 4 D CB 1.994 42.816 40.800 0.037 0.000 1.194 4 D HN 0.055 8.456 8.370 0.051 0.000 0.441 5 A N 4.965 127.793 122.820 0.012 0.000 2.125 5 A HA -0.279 4.109 4.320 0.008 -0.063 0.219 5 A C -0.115 177.475 177.584 0.010 0.000 1.156 5 A CA 2.588 54.629 52.037 0.007 0.000 0.671 5 A CB 0.182 19.181 19.000 -0.002 0.000 0.794 5 A HN 0.629 8.784 8.150 0.008 0.000 0.459 6 N N -7.054 111.655 118.700 0.016 0.000 2.205 6 N HA 0.090 4.830 4.740 0.000 0.000 0.201 6 N C -1.067 174.467 175.510 0.039 0.000 1.128 6 N CA 0.279 53.337 53.050 0.013 0.000 0.867 6 N CB 1.255 39.744 38.487 0.004 0.000 0.996 6 N HN -0.030 8.304 8.380 0.018 0.057 0.503 7 K N -3.516 116.923 120.400 0.065 0.000 2.430 7 K HA 0.289 4.681 4.320 0.121 0.000 0.268 7 K C -2.612 174.073 176.600 0.143 0.000 1.043 7 K CA -1.088 55.264 56.287 0.109 0.000 0.899 7 K CB 4.687 37.250 32.500 0.106 0.000 1.472 7 K HN -0.598 7.686 8.250 0.057 0.000 0.451 8 V N -4.398 115.650 119.914 0.223 0.000 3.040 8 V HA 0.865 5.206 4.120 0.190 -0.107 0.312 8 V C -2.298 174.015 176.094 0.365 0.000 1.115 8 V CA -3.161 59.312 62.300 0.288 0.000 0.998 8 V CB 3.971 36.038 31.823 0.408 0.000 1.042 8 V HN 0.372 8.713 8.190 0.252 0.000 0.433 9 K N -1.677 118.930 120.400 0.344 0.000 2.523 9 K HA 0.437 5.100 4.320 0.441 -0.078 0.257 9 K C -2.475 174.358 176.600 0.389 0.000 0.932 9 K CA -1.014 55.512 56.287 0.398 0.000 0.812 9 K CB 3.931 36.619 32.500 0.315 0.000 1.326 9 K HN 0.311 8.682 8.250 0.202 0.000 0.433 10 F N 0.065 120.191 119.950 0.293 0.000 2.547 10 F HA 0.419 5.273 4.527 0.331 -0.128 0.316 10 F C -1.919 174.100 175.800 0.365 0.000 1.121 10 F CA -1.037 57.146 58.000 0.305 0.000 0.911 10 F CB 4.044 43.151 39.000 0.178 0.000 1.179 10 F HN 0.387 8.894 8.300 0.523 0.107 0.443 11 F N 0.620 120.715 119.950 0.242 0.000 2.540 11 F HA 0.385 5.175 4.527 0.215 -0.133 0.317 11 F C -0.927 175.006 175.800 0.223 0.000 1.104 11 F CA -1.941 56.176 58.000 0.195 0.000 0.913 11 F CB 4.253 43.313 39.000 0.101 0.000 1.170 11 F HN 1.124 9.645 8.300 0.544 0.105 0.450 12 F N 5.442 125.491 119.950 0.164 0.000 2.798 12 F HA 0.034 4.605 4.527 0.072 0.000 0.324 12 F C -1.532 174.306 175.800 0.065 0.000 1.210 12 F CA -1.046 56.998 58.000 0.072 0.000 1.379 12 F CB -0.289 38.705 39.000 -0.010 0.000 1.368 12 F HN 0.144 8.532 8.300 0.342 0.117 0.565 13 G N -0.306 108.464 108.800 -0.051 0.000 2.657 13 G HA2 0.014 3.808 3.960 -0.276 0.000 0.303 13 G HA3 0.014 3.932 3.960 -0.056 0.008 0.303 13 G C -2.452 172.430 174.900 -0.031 0.000 1.457 13 G CA -0.131 44.899 45.100 -0.116 0.000 0.982 13 G HN -0.513 7.745 8.290 0.119 0.102 0.583 14 K N 3.986 124.342 120.400 -0.072 0.000 2.518 14 K HA -0.321 4.147 4.320 -0.024 -0.163 0.276 14 K C 0.947 177.523 176.600 -0.040 0.000 0.974 14 K CA 0.435 56.695 56.287 -0.045 0.000 0.986 14 K CB 0.121 32.589 32.500 -0.054 0.000 0.901 14 K HN -0.313 7.862 8.250 -0.124 0.000 0.497 15 N N 1.092 119.763 118.700 -0.049 0.000 2.714 15 N HA -0.506 4.371 4.740 -0.079 -0.185 0.250 15 N C -0.680 174.771 175.510 -0.098 0.000 1.117 15 N CA 1.161 54.170 53.050 -0.068 0.000 0.719 15 N CB -0.663 37.792 38.487 -0.053 0.000 1.081 15 N HN 0.492 8.845 8.380 -0.045 0.000 0.557 16 C N -4.369 114.864 119.300 -0.112 0.000 3.547 16 C HA -0.380 4.058 4.460 -0.117 -0.048 0.299 16 C C -0.536 174.456 174.990 0.003 0.000 1.148 16 C CA 1.115 60.010 59.018 -0.206 0.000 2.364 16 C CB -1.834 25.558 27.740 -0.579 0.000 1.453 16 C HN -0.216 7.924 8.230 -0.065 0.050 0.549 17 T N -2.008 112.639 114.554 0.155 0.000 2.716 17 T HA 0.183 4.647 4.350 0.191 0.000 0.286 17 T C -0.090 174.734 174.700 0.207 0.000 1.052 17 T CA -1.729 60.470 62.100 0.165 0.000 1.024 17 T CB 2.716 71.616 68.868 0.054 0.000 1.349 17 T HN 0.109 8.322 8.240 0.142 0.113 0.525 18 G N 0.087 108.974 108.800 0.145 0.000 5.155 18 G HA2 -0.286 3.749 3.960 0.124 0.000 0.239 18 G HA3 -0.286 3.974 3.960 0.168 -0.199 0.239 18 G C -1.340 173.669 174.900 0.182 0.000 1.409 18 G CA 0.654 45.851 45.100 0.161 0.000 0.927 18 G HN 0.376 8.733 8.290 0.112 0.000 0.710 19 E N 0.775 121.093 120.200 0.196 0.000 2.446 19 E HA 0.333 4.669 4.350 -0.022 0.000 0.276 19 E C -1.737 174.727 176.600 -0.228 0.000 0.969 19 E CA -1.467 54.951 56.400 0.030 0.000 0.800 19 E CB 3.987 33.711 29.700 0.040 0.000 1.341 19 E HN -0.294 8.169 8.360 0.257 0.051 0.460 20 S N -1.164 114.250 115.700 -0.476 0.000 2.568 20 S HA 0.443 3.793 4.470 -1.868 0.000 0.293 20 S C -1.273 173.031 174.600 -0.494 0.000 1.089 20 S CA -1.206 56.353 58.200 -1.069 0.000 0.945 20 S CB 2.685 65.178 63.200 -1.179 0.000 1.077 20 S HN 0.319 8.445 8.310 -0.306 0.000 0.485 21 F N 0.427 120.023 119.950 -0.591 0.000 2.665 21 F HA 0.179 4.470 4.527 -0.395 0.000 0.308 21 F C -2.100 173.495 175.800 -0.342 0.000 1.112 21 F CA 0.311 58.050 58.000 -0.435 0.000 0.972 21 F CB 4.907 43.613 39.000 -0.490 0.000 1.295 21 F HN 0.053 8.018 8.300 -0.558 0.000 0.440 22 E N 2.511 122.578 120.200 -0.221 0.000 2.314 22 E HA 0.372 4.865 4.350 0.051 -0.112 0.272 22 E C -1.755 174.779 176.600 -0.110 0.000 0.884 22 E CA -1.119 55.228 56.400 -0.087 0.000 0.753 22 E CB 3.444 33.126 29.700 -0.031 0.000 1.213 22 E HN -0.009 8.093 8.360 -0.430 0.000 0.432 23 Y N 0.843 121.269 120.300 0.210 0.000 2.386 23 Y HA 0.161 4.799 4.550 0.145 0.000 0.334 23 Y C -1.266 174.716 175.900 0.136 0.000 1.002 23 Y CA -1.306 56.891 58.100 0.163 0.000 1.068 23 Y CB 2.702 41.243 38.460 0.136 0.000 1.203 23 Y HN 0.760 9.207 8.280 0.279 0.000 0.443 24 N N 3.316 122.181 118.700 0.276 0.000 2.444 24 N HA 0.015 4.849 4.740 0.157 0.000 0.255 24 N C -0.244 175.364 175.510 0.164 0.000 1.255 24 N CA -0.108 53.050 53.050 0.179 0.000 0.933 24 N CB 1.008 39.577 38.487 0.136 0.000 1.143 24 N HN 0.275 8.831 8.380 0.294 0.000 0.453 25 K N -0.790 119.682 120.400 0.120 0.000 2.414 25 K HA -0.253 4.135 4.320 0.114 0.000 0.272 25 K C 0.845 177.515 176.600 0.117 0.000 0.993 25 K CA 0.855 57.201 56.287 0.099 0.000 0.964 25 K CB -0.015 32.509 32.500 0.041 0.000 0.925 25 K HN 0.202 8.513 8.250 0.100 0.000 0.487 26 G N 2.198 111.087 108.800 0.149 0.000 2.298 26 G HA2 -0.416 3.734 3.960 0.267 0.000 0.287 26 G HA3 -0.416 3.694 3.960 0.249 0.000 0.287 26 G C -1.167 173.835 174.900 0.170 0.000 1.075 26 G CA 0.218 45.446 45.100 0.213 0.000 0.960 26 G HN 0.004 8.294 8.290 0.143 0.085 0.502 27 E N -1.490 118.792 120.200 0.136 0.000 2.369 27 E HA 0.491 4.919 4.350 0.130 0.000 0.270 27 E C -2.136 174.514 176.600 0.084 0.000 0.909 27 E CA -1.879 54.587 56.400 0.111 0.000 0.775 27 E CB 2.707 32.466 29.700 0.099 0.000 1.270 27 E HN 0.026 8.463 8.360 0.128 0.000 0.445 28 T N 3.743 118.364 114.554 0.111 0.000 2.921 28 T HA 0.665 5.209 4.350 0.067 -0.154 0.297 28 T C -1.303 173.473 174.700 0.126 0.000 1.013 28 T CA -1.102 61.072 62.100 0.124 0.000 0.990 28 T CB 1.774 70.775 68.868 0.221 0.000 1.023 28 T HN 0.188 8.510 8.240 0.137 0.000 0.447 29 V N 1.539 121.490 119.914 0.061 0.000 3.078 29 V HA 0.598 4.814 4.120 0.160 0.000 0.311 29 V C -2.212 173.996 176.094 0.189 0.000 1.138 29 V CA -2.905 59.446 62.300 0.085 0.000 1.007 29 V CB 3.995 35.785 31.823 -0.055 0.000 1.045 29 V HN 0.862 9.079 8.190 0.046 0.000 0.432 30 R N 1.313 121.936 120.500 0.204 0.000 2.483 30 R HA 0.446 5.169 4.340 0.411 -0.137 0.303 30 R C -1.211 175.231 176.300 0.236 0.000 0.987 30 R CA -0.739 55.519 56.100 0.262 0.000 0.881 30 R CB 2.064 32.454 30.300 0.149 0.000 1.177 30 R HN 0.150 8.519 8.270 0.165 0.000 0.451 31 F N 7.212 127.318 119.950 0.260 0.000 2.359 31 F HA 0.194 4.784 4.527 0.106 0.000 0.370 31 F C -2.522 173.431 175.800 0.255 0.000 1.077 31 F CA -1.077 57.040 58.000 0.194 0.000 1.136 31 F CB 1.870 40.896 39.000 0.043 0.000 1.387 31 F HN -0.021 8.702 8.300 0.706 0.000 0.468 32 N N 2.580 121.374 118.700 0.156 0.000 2.598 32 N HA 0.061 4.943 4.740 0.237 0.000 0.263 32 N C -2.292 173.254 175.510 0.061 0.000 1.254 32 N CA 0.305 53.451 53.050 0.160 0.000 0.863 32 N CB 2.364 40.949 38.487 0.164 0.000 1.586 32 N HN -0.268 8.097 8.380 -0.025 0.000 0.491 33 N N 2.464 121.207 118.700 0.071 0.000 2.646 33 N HA 0.033 4.776 4.740 0.005 0.000 0.296 33 N C 0.378 175.883 175.510 -0.007 0.000 1.886 33 N CA -0.053 53.010 53.050 0.021 0.000 0.855 33 N CB -0.460 38.047 38.487 0.033 0.000 1.336 33 N HN 0.083 8.527 8.380 0.106 0.000 0.496 34 G N 1.710 110.516 108.800 0.010 0.000 2.256 34 G HA2 -0.281 3.686 3.960 0.012 0.000 0.272 34 G HA3 -0.281 3.666 3.960 -0.021 0.000 0.272 34 G C -1.189 173.711 174.900 -0.001 0.000 1.076 34 G CA 0.273 45.372 45.100 -0.001 0.000 0.882 34 G HN -0.019 8.287 8.290 0.028 0.000 0.497 35 D N -2.549 117.871 120.400 0.033 0.000 4.044 35 D HA -0.352 4.601 4.640 0.081 -0.265 0.242 35 D C -0.501 175.804 176.300 0.008 0.000 1.076 35 D CA 1.006 55.034 54.000 0.045 0.000 1.171 35 D CB 0.039 40.872 40.800 0.056 0.000 0.866 35 D HN 0.041 8.444 8.370 0.056 0.000 0.413 36 K N 0.809 121.226 120.400 0.028 0.000 3.069 36 K HA 0.109 4.425 4.320 -0.006 0.000 0.280 36 K C -0.674 176.026 176.600 0.166 0.000 2.717 36 K CA 0.666 56.934 56.287 -0.031 0.000 1.549 36 K CB 0.643 32.967 32.500 -0.293 0.000 2.952 36 K HN 0.053 8.509 8.250 0.092 -0.151 0.391 37 W N 1.488 122.854 121.300 0.110 0.000 3.086 37 W HA 0.266 5.012 4.660 0.143 0.000 0.436 37 W C 0.124 176.776 176.519 0.221 0.000 0.939 37 W CA -0.700 56.729 57.345 0.139 0.000 2.108 37 W CB -1.301 28.218 29.460 0.098 0.000 1.093 37 W HN 0.320 8.561 8.180 0.101 0.000 0.783 38 N N -0.478 118.465 118.700 0.404 0.000 2.216 38 N HA -0.255 4.890 4.740 0.480 -0.117 0.183 38 N C 0.800 176.609 175.510 0.498 0.000 1.017 38 N CA 1.645 54.948 53.050 0.421 0.000 0.861 38 N CB -0.281 38.382 38.487 0.293 0.000 0.986 38 N HN -0.278 8.204 8.380 0.327 0.093 0.428 39 D N 0.233 120.876 120.400 0.404 0.000 2.380 39 D HA -0.318 4.642 4.640 0.533 0.000 0.198 39 D C 0.375 176.961 176.300 0.477 0.000 1.027 39 D CA 2.249 56.488 54.000 0.398 0.000 0.880 39 D CB 0.238 41.133 40.800 0.160 0.000 1.064 39 D HN -0.072 8.502 8.370 0.340 0.000 0.465 40 K N -2.318 118.281 120.400 0.331 0.000 3.100 40 K HA -0.258 4.208 4.320 0.245 0.000 0.261 40 K C -1.453 175.379 176.600 0.387 0.000 0.920 40 K CA 0.850 57.261 56.287 0.206 0.000 0.683 40 K CB -1.798 30.609 32.500 -0.155 0.000 1.349 40 K HN 0.362 8.812 8.250 0.333 0.000 0.473 41 F N -7.878 112.320 119.950 0.414 0.000 2.645 41 F HA 0.199 4.941 4.527 0.359 0.000 0.310 41 F C -2.534 173.372 175.800 0.176 0.000 1.102 41 F CA -1.233 56.971 58.000 0.339 0.000 0.952 41 F CB 1.691 40.938 39.000 0.411 0.000 1.326 41 F HN -0.398 8.222 8.300 0.082 -0.270 0.456 42 M N 0.386 120.154 119.600 0.281 0.000 1.686 42 M HA 0.066 4.584 4.480 0.064 0.000 0.198 42 M C -1.933 174.506 176.300 0.231 0.000 1.210 42 M CA 0.872 56.247 55.300 0.125 0.000 0.885 42 M CB 3.433 35.944 32.600 -0.148 0.000 1.669 42 M HN 0.335 8.900 8.290 0.458 0.000 0.612 43 S N -0.117 115.696 115.700 0.188 0.000 2.519 43 S HA 0.905 5.602 4.470 0.040 -0.202 0.309 43 S C -1.955 172.659 174.600 0.023 0.000 1.100 43 S CA -1.538 56.705 58.200 0.072 0.000 1.059 43 S CB 1.444 64.646 63.200 0.003 0.000 1.008 43 S HN -0.137 8.312 8.310 0.231 0.000 0.478 44 C N 3.884 123.087 119.300 -0.162 0.000 3.090 44 C HA 0.987 5.406 4.460 -0.265 -0.118 0.305 44 C C -2.695 172.099 174.990 -0.326 0.000 1.292 44 C CA -3.478 55.288 59.018 -0.420 0.000 1.482 44 C CB 3.976 30.951 27.740 -1.275 0.000 1.897 44 C HN 0.994 9.140 8.230 -0.139 0.000 0.469 45 L N 0.070 121.123 121.223 -0.282 0.000 2.385 45 L HA 0.474 4.727 4.340 -0.145 0.000 0.273 45 L C -1.480 175.333 176.870 -0.095 0.000 0.990 45 L CA -0.464 54.284 54.840 -0.153 0.000 0.821 45 L CB 3.239 45.238 42.059 -0.101 0.000 1.279 45 L HN 0.716 8.765 8.230 -0.301 0.000 0.412 46 V N 2.099 121.981 119.914 -0.055 0.000 2.380 46 V HA 0.217 4.372 4.120 0.058 0.000 0.286 46 V C -1.114 174.988 176.094 0.013 0.000 1.015 46 V CA -1.176 61.129 62.300 0.009 0.000 0.834 46 V CB 1.818 33.648 31.823 0.012 0.000 1.009 46 V HN 0.498 8.647 8.190 -0.068 0.000 0.428 47 G N 5.512 114.331 108.800 0.031 0.000 2.562 47 G HA2 -0.123 3.842 3.960 0.008 0.000 0.233 47 G HA3 -0.123 4.017 3.960 0.027 -0.164 0.233 47 G C 0.793 175.699 174.900 0.009 0.000 1.266 47 G CA 0.050 45.161 45.100 0.019 0.000 0.852 47 G HN -0.531 7.793 8.290 0.056 0.000 0.581 48 S N 0.708 116.407 115.700 -0.001 0.000 2.584 48 S HA -0.264 4.283 4.470 -0.006 -0.081 0.240 48 S C -0.137 174.456 174.600 -0.011 0.000 0.975 48 S CA 1.665 59.861 58.200 -0.007 0.000 0.949 48 S CB -0.112 63.082 63.200 -0.010 0.000 0.761 48 S HN 0.595 8.903 8.310 -0.002 0.000 0.536 49 N N -0.855 117.838 118.700 -0.011 0.000 2.387 49 N HA 0.236 4.958 4.740 -0.029 0.000 0.259 49 N C -2.497 172.998 175.510 -0.024 0.000 1.369 49 N CA -0.413 52.622 53.050 -0.024 0.000 0.867 49 N CB 1.533 40.002 38.487 -0.031 0.000 1.341 49 N HN -0.342 7.957 8.380 -0.003 0.079 0.495 50 V N -5.408 114.505 119.914 -0.001 0.000 3.147 50 V HA 0.665 4.948 4.120 0.000 -0.163 0.306 50 V C -2.743 173.375 176.094 0.040 0.000 1.209 50 V CA -2.075 60.236 62.300 0.019 0.000 1.023 50 V CB 3.032 34.884 31.823 0.049 0.000 1.059 50 V HN -0.306 7.887 8.190 0.006 0.000 0.435 51 R N 0.292 120.828 120.500 0.061 0.000 2.807 51 R HA 0.584 4.965 4.340 0.069 0.000 0.276 51 R C -1.796 174.577 176.300 0.122 0.000 0.979 51 R CA -1.673 54.474 56.100 0.079 0.000 0.928 51 R CB 4.464 34.805 30.300 0.068 0.000 1.191 51 R HN 0.906 9.215 8.270 0.065 0.000 0.471 52 C N 1.003 120.384 119.300 0.135 0.000 2.493 52 C HA 0.737 5.447 4.460 0.172 -0.147 0.326 52 C C -1.865 173.204 174.990 0.131 0.000 1.200 52 C CA -1.716 57.405 59.018 0.171 0.000 1.739 52 C CB 3.576 31.483 27.740 0.279 0.000 2.300 52 C HN -0.023 8.271 8.230 0.107 0.000 0.500 53 N N 2.614 121.388 118.700 0.124 0.000 2.430 53 N HA 0.611 5.548 4.740 0.052 -0.166 0.290 53 N C -1.695 173.828 175.510 0.021 0.000 1.063 53 N CA -0.539 52.563 53.050 0.086 0.000 0.883 53 N CB 2.840 41.426 38.487 0.166 0.000 1.465 53 N HN 0.780 9.242 8.380 0.136 0.000 0.493 54 I N -0.865 119.641 120.570 -0.107 0.000 2.474 54 I HA 0.674 4.847 4.170 -0.197 -0.121 0.294 54 I C -2.218 173.710 176.117 -0.314 0.000 1.005 54 I CA -1.733 59.429 61.300 -0.229 0.000 1.113 54 I CB 2.922 40.721 38.000 -0.335 0.000 1.289 54 I HN 0.651 8.779 8.210 -0.135 0.000 0.436 55 W N 6.299 127.519 121.300 -0.133 0.000 2.756 55 W HA 0.448 5.230 4.660 0.002 -0.121 0.333 55 W C -0.415 176.039 176.519 -0.108 0.000 1.025 55 W CA -1.215 56.091 57.345 -0.065 0.000 1.246 55 W CB 4.157 33.592 29.460 -0.041 0.000 1.358 55 W HN 0.754 8.869 8.180 -0.108 0.000 0.444 56 E N 6.868 127.254 120.200 0.310 0.000 2.045 56 E HA -0.404 4.032 4.350 0.008 -0.081 0.212 56 E C -0.755 175.924 176.600 0.130 0.000 1.039 56 E CA 3.309 59.775 56.400 0.110 0.000 0.860 56 E CB 0.459 30.139 29.700 -0.033 0.000 0.776 56 E HN 0.603 9.072 8.360 0.182 0.000 0.467 57 H N -7.800 111.406 119.070 0.227 0.000 2.907 57 H HA 0.223 4.812 4.556 0.055 0.000 0.233 57 H C -1.713 173.566 175.328 -0.081 0.000 1.285 57 H CA -2.232 53.853 56.048 0.061 0.000 0.981 57 H CB -0.729 29.056 29.762 0.039 0.000 2.255 57 H HN -0.106 8.328 8.280 0.257 0.000 0.601 58 N N -3.395 115.323 118.700 0.029 0.000 2.686 58 N HA -0.435 3.717 4.740 -0.980 0.000 0.261 58 N C -1.031 174.144 175.510 -0.559 0.000 1.001 58 N CA 0.460 53.239 53.050 -0.452 0.000 0.764 58 N CB -1.876 36.441 38.487 -0.284 0.000 0.898 58 N HN 0.136 8.657 8.380 0.234 0.000 0.544 59 E N -2.247 117.554 120.200 -0.666 0.000 2.415 59 E HA -0.136 4.043 4.350 -0.284 0.000 0.263 59 E C 0.052 176.345 176.600 -0.512 0.000 0.995 59 E CA 0.557 56.693 56.400 -0.440 0.000 0.915 59 E CB 0.128 29.706 29.700 -0.204 0.000 0.951 59 E HN -0.038 7.778 8.360 -0.906 0.000 0.449 60 I N 4.229 124.601 120.570 -0.331 0.000 3.832 60 I HA -0.007 4.086 4.170 -0.325 -0.118 0.324 60 I C -0.580 175.406 176.117 -0.219 0.000 1.447 60 I CA -0.674 60.461 61.300 -0.277 0.000 1.242 60 I CB -1.494 36.377 38.000 -0.215 0.000 1.212 60 I HN 0.359 8.405 8.210 -0.274 0.000 0.415 61 D N -2.326 117.937 120.400 -0.227 0.000 2.699 61 D HA -0.345 4.310 4.640 -0.145 -0.102 0.239 61 D C -0.149 176.084 176.300 -0.112 0.000 1.136 61 D CA 1.713 55.619 54.000 -0.157 0.000 0.668 61 D CB -2.250 38.461 40.800 -0.149 0.000 1.060 61 D HN 0.207 8.609 8.370 -0.286 -0.204 0.429 62 T N -2.508 111.982 114.554 -0.107 0.000 2.701 62 T HA 0.133 4.433 4.350 -0.083 0.000 0.303 62 T C -0.523 174.152 174.700 -0.041 0.000 1.030 62 T CA -0.890 61.163 62.100 -0.078 0.000 1.010 62 T CB 0.853 69.669 68.868 -0.087 0.000 1.007 62 T HN -0.729 7.572 8.240 -0.129 -0.138 0.532 63 P HA 0.127 4.540 4.420 -0.011 0.000 0.244 63 P C -1.229 176.078 177.300 0.012 0.000 1.211 63 P CA 0.366 63.460 63.100 -0.011 0.000 0.760 63 P CB -0.042 31.649 31.700 -0.015 0.000 0.961 64 T N 1.591 116.162 114.554 0.027 0.000 2.965 64 T HA 0.341 4.729 4.350 0.063 0.000 0.306 64 T C -2.467 172.297 174.700 0.107 0.000 0.991 64 T CA -3.234 58.907 62.100 0.067 0.000 1.001 64 T CB 1.101 70.015 68.868 0.077 0.000 0.984 64 T HN -0.519 7.636 8.240 0.013 0.093 0.446 65 P HA 0.198 4.726 4.420 0.181 0.000 0.271 65 P C -0.730 176.729 177.300 0.264 0.000 1.226 65 P CA -0.569 62.655 63.100 0.206 0.000 0.765 65 P CB 0.960 32.801 31.700 0.235 0.000 0.835 66 G N 2.569 111.579 108.800 0.350 0.000 2.961 66 G HA2 -0.105 3.940 3.960 0.142 0.000 0.150 66 G HA3 -0.105 3.984 3.960 0.215 0.000 0.150 66 G C -1.684 173.394 174.900 0.296 0.000 1.864 66 G CA -0.074 45.186 45.100 0.268 0.000 0.992 66 G HN 0.265 8.780 8.290 0.375 0.000 0.458 67 K N -0.114 120.458 120.400 0.286 0.000 2.513 67 K HA 0.377 4.677 4.320 -0.033 0.000 0.251 67 K C -2.001 174.438 176.600 -0.269 0.000 0.939 67 K CA -0.883 55.410 56.287 0.011 0.000 0.793 67 K CB 2.777 35.241 32.500 -0.060 0.000 1.241 67 K HN -0.057 8.428 8.250 0.391 0.000 0.431 68 F N -1.246 118.320 119.950 -0.640 0.000 2.615 68 F HA 0.921 4.994 4.527 -1.078 -0.193 0.312 68 F C -2.067 173.419 175.800 -0.523 0.000 1.119 68 F CA -2.175 55.236 58.000 -0.980 0.000 0.979 68 F CB 3.108 41.131 39.000 -1.628 0.000 1.266 68 F HN 0.075 7.926 8.300 -0.748 0.000 0.444 69 Q N 1.936 121.509 119.800 -0.379 0.000 2.340 69 Q HA 0.300 4.482 4.340 -0.262 0.000 0.276 69 Q C -2.032 173.896 176.000 -0.121 0.000 1.048 69 Q CA -0.816 54.835 55.803 -0.252 0.000 0.832 69 Q CB 4.875 33.464 28.738 -0.248 0.000 1.373 69 Q HN 0.027 8.057 8.270 -0.401 0.000 0.409 70 E N 6.562 126.739 120.200 -0.038 0.000 2.561 70 E HA 0.208 4.716 4.350 0.052 -0.126 0.225 70 E C -1.306 175.310 176.600 0.027 0.000 1.035 70 E CA -1.461 54.963 56.400 0.040 0.000 0.904 70 E CB 0.503 30.272 29.700 0.114 0.000 1.291 70 E HN 0.384 8.713 8.360 -0.051 0.000 0.444 71 L N 3.456 124.688 121.223 0.016 0.000 2.825 71 L HA -0.212 4.117 4.340 -0.020 0.000 0.278 71 L C -0.103 176.782 176.870 0.026 0.000 1.125 71 L CA 0.453 55.300 54.840 0.011 0.000 1.023 71 L CB -1.457 40.625 42.059 0.039 0.000 1.377 71 L HN -0.278 7.966 8.230 0.023 0.000 0.471 72 A N 4.609 127.435 122.820 0.010 0.000 2.566 72 A HA -0.157 4.180 4.320 0.028 0.000 0.245 72 A C -1.022 176.569 177.584 0.012 0.000 1.056 72 A CA 0.611 52.657 52.037 0.015 0.000 0.757 72 A CB 0.383 19.386 19.000 0.004 0.000 0.979 72 A HN -0.151 7.997 8.150 -0.004 0.000 0.508 73 Q N 4.686 124.497 119.800 0.017 0.000 2.256 73 Q HA -0.355 4.183 4.340 0.020 -0.186 0.281 73 Q C 0.584 176.585 176.000 0.001 0.000 1.162 73 Q CA 1.050 56.860 55.803 0.012 0.000 0.943 73 Q CB -0.297 28.444 28.738 0.005 0.000 1.195 73 Q HN 0.090 8.373 8.270 0.023 0.000 0.403 74 G N 5.170 113.969 108.800 -0.001 0.000 2.520 74 G HA2 -0.327 3.759 3.960 -0.009 0.000 0.264 74 G HA3 -0.327 3.627 3.960 -0.009 0.000 0.264 74 G C -1.080 173.810 174.900 -0.016 0.000 1.140 74 G CA 0.008 45.103 45.100 -0.009 0.000 1.012 74 G HN -0.138 8.155 8.290 0.005 0.000 0.511 75 S N -1.306 114.380 115.700 -0.023 0.000 2.607 75 S HA 0.386 4.836 4.470 -0.033 0.000 0.273 75 S C -1.831 172.737 174.600 -0.054 0.000 1.148 75 S CA -0.831 57.348 58.200 -0.035 0.000 0.833 75 S CB 2.583 65.763 63.200 -0.033 0.000 1.130 75 S HN -0.088 8.210 8.310 -0.020 0.000 0.470 76 T N 3.153 117.670 114.554 -0.062 0.000 2.824 76 T HA 0.306 4.716 4.350 -0.105 -0.124 0.282 76 T C -1.231 173.420 174.700 -0.081 0.000 0.993 76 T CA -0.409 61.641 62.100 -0.084 0.000 0.967 76 T CB 1.549 70.369 68.868 -0.080 0.000 0.960 76 T HN 0.103 8.312 8.240 -0.052 0.000 0.441 77 N N 6.400 125.039 118.700 -0.101 0.000 2.564 77 N HA 0.269 4.973 4.740 -0.060 0.000 0.248 77 N C -0.925 174.549 175.510 -0.060 0.000 0.986 77 N CA -0.558 52.444 53.050 -0.079 0.000 0.921 77 N CB 1.923 40.351 38.487 -0.098 0.000 1.136 77 N HN 0.556 8.855 8.380 -0.134 0.000 0.509 78 N N 2.405 121.079 118.700 -0.043 0.000 2.396 78 N HA -0.225 4.488 4.740 -0.046 0.000 0.180 78 N C -1.559 173.951 175.510 0.000 0.000 1.028 78 N CA 2.518 55.548 53.050 -0.033 0.000 0.893 78 N CB 1.223 39.686 38.487 -0.039 0.000 0.967 78 N HN 0.511 8.865 8.380 -0.043 0.000 0.440 79 D N -4.575 115.838 120.400 0.022 0.000 2.927 79 D HA 0.364 5.289 4.640 0.108 -0.219 0.219 79 D C -1.310 175.054 176.300 0.108 0.000 1.248 79 D CA -0.663 53.379 54.000 0.071 0.000 0.861 79 D CB 2.554 43.371 40.800 0.027 0.000 1.677 79 D HN -0.666 7.677 8.370 0.006 0.031 0.511 80 L N 1.703 123.086 121.223 0.266 0.000 3.184 80 L HA 0.381 4.775 4.340 0.089 0.000 0.283 80 L C 0.902 177.992 176.870 0.366 0.000 1.218 80 L CA -0.656 54.325 54.840 0.235 0.000 1.028 80 L CB -0.283 41.778 42.059 0.003 0.000 1.400 80 L HN 0.328 8.811 8.230 0.421 0.000 0.591 81 T N 3.385 118.111 114.554 0.286 0.000 2.918 81 T HA -0.317 4.331 4.350 0.202 -0.177 0.271 81 T C 1.822 176.583 174.700 0.102 0.000 1.104 81 T CA 4.351 66.542 62.100 0.152 0.000 1.114 81 T CB -0.375 68.498 68.868 0.009 0.000 0.855 81 T HN 0.305 9.044 8.240 0.215 -0.370 0.518 82 S N 0.457 116.197 115.700 0.066 0.000 2.423 82 S HA -0.230 4.242 4.470 0.003 0.000 0.238 82 S C 0.410 175.011 174.600 0.001 0.000 1.028 82 S CA 2.325 60.533 58.200 0.013 0.000 1.000 82 S CB 0.167 63.353 63.200 -0.023 0.000 0.797 82 S HN -0.267 8.049 8.310 0.068 0.034 0.487 83 I N -0.881 119.715 120.570 0.043 0.000 2.953 83 I HA 0.097 4.253 4.170 -0.023 0.000 0.325 83 I C -1.225 175.009 176.117 0.194 0.000 1.421 83 I CA -1.048 60.256 61.300 0.007 0.000 0.845 83 I CB -0.471 37.443 38.000 -0.143 0.000 2.186 83 I HN -0.192 7.926 8.210 0.110 0.159 0.604 84 N N 1.090 119.943 118.700 0.255 0.000 2.258 84 N HA -0.217 4.962 4.740 0.522 -0.125 0.187 84 N C 0.687 176.348 175.510 0.252 0.000 1.012 84 N CA 2.259 55.494 53.050 0.308 0.000 0.870 84 N CB 0.521 39.077 38.487 0.115 0.000 0.977 84 N HN -0.778 7.692 8.380 0.150 0.000 0.434 85 G N -1.876 106.986 108.800 0.104 0.000 2.428 85 G HA2 -0.077 4.003 3.960 0.050 0.000 0.293 85 G HA3 -0.077 3.874 3.960 -0.014 0.000 0.293 85 G C -1.645 173.231 174.900 -0.040 0.000 1.059 85 G CA 0.191 45.307 45.100 0.027 0.000 1.194 85 G HN -0.125 8.176 8.290 0.071 0.032 0.435 86 L N -1.246 119.941 121.223 -0.060 0.000 2.977 86 L HA 0.273 4.588 4.340 -0.207 -0.099 0.338 86 L C -0.738 175.942 176.870 -0.316 0.000 1.291 86 L CA -1.621 53.051 54.840 -0.280 0.000 0.747 86 L CB -1.055 40.676 42.059 -0.547 0.000 1.160 86 L HN -0.569 7.692 8.230 0.027 -0.015 0.567 87 S N 0.482 116.172 115.700 -0.017 0.000 2.462 87 S HA -0.336 4.446 4.470 0.246 -0.164 0.243 87 S C -0.021 174.678 174.600 0.166 0.000 1.003 87 S CA 3.080 61.360 58.200 0.133 0.000 0.970 87 S CB 0.315 63.609 63.200 0.156 0.000 0.762 87 S HN -0.162 8.264 8.310 0.028 -0.099 0.510 88 K N 0.271 120.706 120.400 0.058 0.000 2.207 88 K HA 0.417 5.026 4.320 0.266 -0.129 0.255 88 K C -2.081 174.499 176.600 -0.033 0.000 0.941 88 K CA -0.985 55.377 56.287 0.124 0.000 0.825 88 K CB 2.754 35.321 32.500 0.110 0.000 1.119 88 K HN -0.506 7.695 8.250 -0.006 0.045 0.430 89 F N 2.655 122.595 119.950 -0.017 0.000 2.529 89 F HA 0.520 5.003 4.527 -0.074 0.000 0.320 89 F C -1.407 174.340 175.800 -0.089 0.000 1.118 89 F CA -1.553 56.383 58.000 -0.107 0.000 0.915 89 F CB 3.464 42.286 39.000 -0.295 0.000 1.161 89 F HN 0.843 9.402 8.300 0.432 0.000 0.445 90 Q N 1.429 121.305 119.800 0.126 0.000 2.321 90 Q HA 0.552 5.066 4.340 0.092 -0.119 0.270 90 Q C -1.754 174.306 176.000 0.100 0.000 1.032 90 Q CA -0.980 54.889 55.803 0.110 0.000 0.784 90 Q CB 4.325 33.154 28.738 0.152 0.000 1.264 90 Q HN 0.935 9.274 8.270 0.115 0.000 0.448 91 V N 4.583 124.545 119.914 0.081 0.000 2.407 91 V HA 0.451 4.776 4.120 0.137 -0.123 0.291 91 V C -2.061 174.116 176.094 0.139 0.000 1.018 91 V CA -1.081 61.283 62.300 0.106 0.000 0.842 91 V CB 0.974 32.837 31.823 0.067 0.000 0.996 91 V HN 0.918 9.149 8.190 0.067 0.000 0.426 92 L N 6.630 127.942 121.223 0.148 0.000 2.381 92 L HA 0.664 5.132 4.340 0.213 0.000 0.268 92 L C -2.423 174.502 176.870 0.092 0.000 0.997 92 L CA -3.492 51.449 54.840 0.169 0.000 0.818 92 L CB 2.933 45.111 42.059 0.199 0.000 1.310 92 L HN 0.891 9.206 8.230 0.142 0.000 0.416 93 P HA 0.095 4.480 4.420 -0.058 0.000 0.274 93 P C 1.006 178.230 177.300 -0.126 0.000 1.246 93 P CA -0.449 62.581 63.100 -0.118 0.000 0.795 93 P CB 0.771 32.276 31.700 -0.325 0.000 1.006 94 G N -0.814 107.912 108.800 -0.123 0.000 2.479 94 G HA2 -0.401 3.513 3.960 -0.077 0.000 0.220 94 G HA3 -0.401 3.703 3.960 -0.092 -0.199 0.220 94 G C 0.474 175.286 174.900 -0.147 0.000 1.115 94 G CA 2.032 47.067 45.100 -0.108 0.000 0.757 94 G HN 0.459 8.618 8.290 -0.110 0.064 0.560 95 A N 0.084 122.748 122.820 -0.260 0.000 2.015 95 A HA -0.027 4.196 4.320 -0.161 0.000 0.219 95 A C -0.642 176.883 177.584 -0.098 0.000 1.163 95 A CA 1.441 53.302 52.037 -0.295 0.000 0.646 95 A CB 0.175 18.830 19.000 -0.575 0.000 0.806 95 A HN 0.286 8.214 8.150 -0.324 0.028 0.448 96 F N -5.134 114.766 119.950 -0.083 0.000 2.460 96 F HA 0.358 4.898 4.527 -0.143 -0.099 0.341 96 F C -0.631 175.052 175.800 -0.194 0.000 1.130 96 F CA -2.957 54.974 58.000 -0.115 0.000 0.962 96 F CB 0.661 39.636 39.000 -0.041 0.000 1.171 96 F HN -0.593 7.448 8.300 -0.167 0.159 0.436 97 Q N 5.565 125.225 119.800 -0.233 0.000 2.083 97 Q HA -0.126 3.986 4.340 -0.379 0.000 0.198 97 Q C -0.381 175.365 176.000 -0.423 0.000 0.969 97 Q CA 2.426 57.876 55.803 -0.588 0.000 0.838 97 Q CB 1.567 29.546 28.738 -1.266 0.000 0.900 97 Q HN 0.423 8.535 8.270 -0.264 0.000 0.436 98 W N -7.912 113.383 121.300 -0.008 0.000 3.074 98 W HA 0.279 4.986 4.660 0.079 0.000 0.332 98 W C -3.051 173.515 176.519 0.077 0.000 1.253 98 W CA -2.077 55.282 57.345 0.023 0.000 1.180 98 W CB 1.669 31.063 29.460 -0.111 0.000 1.445 98 W HN -0.649 7.231 8.180 -0.499 0.000 0.573 99 A N -0.867 122.177 122.820 0.374 0.000 2.556 99 A HA 0.660 5.242 4.320 0.202 -0.140 0.294 99 A C -2.034 175.685 177.584 0.226 0.000 1.091 99 A CA -1.282 50.897 52.037 0.236 0.000 0.704 99 A CB 3.481 22.573 19.000 0.153 0.000 1.300 99 A HN 0.109 8.507 8.150 0.413 0.000 0.406 100 V N -0.874 119.149 119.914 0.180 0.000 2.588 100 V HA 0.244 4.370 4.120 0.010 0.000 0.304 100 V C -1.062 175.090 176.094 0.095 0.000 1.042 100 V CA -2.231 60.134 62.300 0.107 0.000 0.877 100 V CB 2.703 34.671 31.823 0.242 0.000 0.996 100 V HN 0.437 8.614 8.190 0.172 0.116 0.425 101 D N 7.163 127.553 120.400 -0.016 0.000 2.348 101 D HA 0.372 5.288 4.640 0.190 -0.163 0.253 101 D C -0.765 175.606 176.300 0.118 0.000 1.161 101 D CA 0.585 54.620 54.000 0.057 0.000 0.876 101 D CB 0.574 41.311 40.800 -0.105 0.000 1.160 101 D HN 0.414 8.693 8.370 -0.151 0.000 0.459 102 V N 3.390 123.471 119.914 0.279 0.000 2.823 102 V HA 0.933 5.506 4.120 0.395 -0.216 0.312 102 V C -1.745 174.573 176.094 0.374 0.000 1.072 102 V CA -2.007 60.531 62.300 0.397 0.000 0.937 102 V CB 4.208 36.349 31.823 0.529 0.000 1.013 102 V HN 0.701 9.073 8.190 0.304 0.000 0.430 103 K N 3.704 124.344 120.400 0.401 0.000 2.536 103 K HA 0.401 4.900 4.320 0.298 0.000 0.269 103 K C -2.553 174.275 176.600 0.380 0.000 0.965 103 K CA -1.106 55.382 56.287 0.336 0.000 0.860 103 K CB 4.072 36.739 32.500 0.277 0.000 1.423 103 K HN 0.229 8.751 8.250 0.453 0.000 0.438 104 I N 1.169 121.912 120.570 0.289 0.000 2.433 104 I HA 0.667 5.199 4.170 0.354 -0.150 0.292 104 I C -0.969 175.263 176.117 0.193 0.000 1.001 104 I CA -1.227 60.242 61.300 0.281 0.000 1.119 104 I CB 2.335 40.495 38.000 0.265 0.000 1.289 104 I HN 0.471 8.823 8.210 0.237 0.000 0.438 105 V N 3.405 123.409 119.914 0.150 0.000 2.760 105 V HA 0.647 4.958 4.120 0.056 -0.157 0.309 105 V C -1.892 174.184 176.094 -0.030 0.000 1.077 105 V CA -3.167 59.171 62.300 0.063 0.000 0.910 105 V CB 3.413 35.277 31.823 0.068 0.000 1.008 105 V HN 0.886 9.190 8.190 0.189 0.000 0.424 106 N N 5.703 124.350 118.700 -0.088 0.000 2.442 106 N HA -0.066 4.498 4.740 -0.293 0.000 0.265 106 N C -0.374 175.080 175.510 -0.093 0.000 1.138 106 N CA -0.138 52.811 53.050 -0.169 0.000 0.956 106 N CB -0.428 37.959 38.487 -0.166 0.000 1.067 106 N HN 0.123 8.562 8.380 -0.046 -0.087 0.474 107 K N 3.210 123.554 120.400 -0.094 0.000 2.374 107 K HA 0.177 4.475 4.320 -0.037 0.000 0.202 107 K C -0.606 175.963 176.600 -0.051 0.000 1.040 107 K CA 0.337 56.594 56.287 -0.051 0.000 1.085 107 K CB 0.754 33.239 32.500 -0.025 0.000 0.873 107 K HN 0.077 8.247 8.250 -0.134 0.000 0.539 108 V N -2.020 117.848 119.914 -0.076 0.000 3.177 108 V HA 0.003 4.102 4.120 -0.035 0.000 0.220 108 V C -0.363 175.698 176.094 -0.055 0.000 1.395 108 V CA 0.842 63.110 62.300 -0.053 0.000 1.317 108 V CB 1.113 32.912 31.823 -0.040 0.000 1.148 108 V HN -0.375 7.742 8.190 -0.122 0.000 0.499 109 N N 2.097 120.740 118.700 -0.095 0.000 2.605 109 N HA -0.077 4.657 4.740 -0.009 0.000 0.282 109 N C -0.352 175.123 175.510 -0.057 0.000 1.206 109 N CA 0.196 53.210 53.050 -0.060 0.000 1.074 109 N CB -1.556 36.889 38.487 -0.070 0.000 1.434 109 N HN 0.123 8.406 8.380 -0.163 0.000 0.506 110 S N 3.561 119.241 115.700 -0.033 0.000 3.613 110 S HA -0.083 4.366 4.470 -0.034 0.000 0.220 110 S C -0.187 174.398 174.600 -0.025 0.000 1.261 110 S CA 0.923 59.107 58.200 -0.027 0.000 1.143 110 S CB -1.250 61.939 63.200 -0.018 0.000 1.315 110 S HN 0.263 8.524 8.310 -0.023 0.036 0.450 111 T N 2.339 116.872 114.554 -0.034 0.000 3.340 111 T HA 0.049 4.374 4.350 -0.042 0.000 0.272 111 T C -1.163 173.510 174.700 -0.045 0.000 0.965 111 T CA -0.208 61.863 62.100 -0.048 0.000 1.040 111 T CB 1.418 70.235 68.868 -0.086 0.000 1.183 111 T HN -0.086 8.036 8.240 -0.040 0.093 0.478 112 A N 0.357 123.159 122.820 -0.030 0.000 2.861 112 A HA -0.439 4.071 4.320 0.023 -0.176 0.672 112 A C 1.418 179.002 177.584 0.001 0.000 0.374 112 A CA 0.862 52.899 52.037 -0.000 0.000 0.264 112 A CB -0.364 18.637 19.000 0.002 0.000 3.872 112 A HN -0.580 7.550 8.150 -0.034 0.000 0.543 113 G N -0.354 108.470 108.800 0.040 0.000 2.623 113 G HA2 -0.521 3.470 3.960 0.052 0.000 0.241 113 G HA3 -0.521 3.445 3.960 0.011 0.000 0.241 113 G C 0.648 175.569 174.900 0.036 0.000 1.114 113 G CA 1.543 46.664 45.100 0.035 0.000 0.682 113 G HN 0.674 8.898 8.290 0.065 0.105 0.524 114 S N -0.130 115.560 115.700 -0.016 0.000 2.547 114 S HA -0.231 4.225 4.470 -0.023 0.000 0.235 114 S C -0.772 173.937 174.600 0.181 0.000 0.980 114 S CA 1.053 59.214 58.200 -0.064 0.000 0.941 114 S CB 0.987 63.859 63.200 -0.547 0.000 0.763 114 S HN -0.324 7.832 8.310 -0.055 0.122 0.532 115 Y N 2.010 122.337 120.300 0.046 0.000 2.345 115 Y HA 0.084 4.704 4.550 0.117 0.000 0.331 115 Y C -3.010 172.919 175.900 0.048 0.000 0.959 115 Y CA -1.028 57.117 58.100 0.076 0.000 1.204 115 Y CB 1.765 40.263 38.460 0.063 0.000 1.135 115 Y HN -0.536 7.789 8.280 0.224 0.089 0.477 116 E N 10.460 130.516 120.200 -0.240 0.000 2.191 116 E HA 0.580 5.052 4.350 -0.065 -0.161 0.263 116 E C -2.340 174.085 176.600 -0.291 0.000 0.881 116 E CA -1.900 54.400 56.400 -0.167 0.000 0.757 116 E CB 3.752 33.405 29.700 -0.079 0.000 1.147 116 E HN -0.137 8.036 8.360 -0.312 0.000 0.414 117 M N 8.281 127.760 119.600 -0.202 0.000 2.336 117 M HA 0.396 4.725 4.480 -0.252 0.000 0.342 117 M C -1.905 174.328 176.300 -0.111 0.000 1.128 117 M CA -0.688 54.494 55.300 -0.198 0.000 1.016 117 M CB 4.124 36.616 32.600 -0.180 0.000 1.665 117 M HN 0.735 8.968 8.290 -0.096 0.000 0.445 118 T N 8.625 123.115 114.554 -0.107 0.000 2.840 118 T HA 0.718 5.258 4.350 -0.034 -0.211 0.287 118 T C -1.364 173.300 174.700 -0.060 0.000 0.991 118 T CA -0.359 61.710 62.100 -0.052 0.000 0.964 118 T CB 1.490 70.351 68.868 -0.012 0.000 0.954 118 T HN 0.748 8.907 8.240 -0.135 0.000 0.438 119 I N 7.081 127.633 120.570 -0.029 0.000 2.509 119 I HA 0.687 5.024 4.170 -0.021 -0.180 0.293 119 I C -1.898 174.230 176.117 0.018 0.000 1.020 119 I CA -1.106 60.190 61.300 -0.007 0.000 1.088 119 I CB 4.189 42.202 38.000 0.021 0.000 1.267 119 I HN 0.907 9.109 8.210 -0.013 0.000 0.430 120 T N 5.741 120.319 114.554 0.041 0.000 3.078 120 T HA 0.519 4.866 4.350 -0.005 0.000 0.328 120 T C -2.503 172.215 174.700 0.029 0.000 0.987 120 T CA -3.565 58.552 62.100 0.028 0.000 1.049 120 T CB 1.502 70.396 68.868 0.042 0.000 1.011 120 T HN 0.723 9.003 8.240 0.067 0.000 0.463 121 P HA 0.100 4.541 4.420 0.035 0.000 0.274 121 P C -0.665 176.677 177.300 0.069 0.000 1.246 121 P CA -0.945 62.151 63.100 -0.007 0.000 0.795 121 P CB 0.959 32.576 31.700 -0.137 0.000 1.006 122 Y N 3.746 124.051 120.300 0.008 0.000 2.619 122 Y HA -0.488 4.079 4.550 0.029 0.000 0.423 122 Y C -0.490 175.416 175.900 0.010 0.000 1.360 122 Y CA 1.749 59.864 58.100 0.025 0.000 1.828 122 Y CB -0.676 37.814 38.460 0.050 0.000 1.236 122 Y HN -0.367 8.071 8.280 0.263 0.000 0.451 123 Q N -1.223 118.391 119.800 -0.310 0.000 2.434 123 Q HA -0.333 3.889 4.340 -0.197 0.000 0.299 123 Q C -1.227 174.667 176.000 -0.177 0.000 1.286 123 Q CA 1.027 56.647 55.803 -0.305 0.000 0.872 123 Q CB -1.429 27.011 28.738 -0.497 0.000 1.193 123 Q HN 0.269 8.436 8.270 -0.171 0.000 0.466 124 V N -1.927 117.928 119.914 -0.097 0.000 2.973 124 V HA 0.137 4.227 4.120 -0.049 0.000 0.314 124 V C -0.634 175.432 176.094 -0.048 0.000 1.066 124 V CA -1.510 60.754 62.300 -0.061 0.000 1.021 124 V CB 1.968 33.753 31.823 -0.062 0.000 1.076 124 V HN -0.429 7.695 8.190 -0.081 0.017 0.462 125 D N 3.132 123.511 120.400 -0.035 0.000 2.422 125 D HA -0.246 4.389 4.640 -0.009 0.000 0.283 125 D C -0.221 176.062 176.300 -0.029 0.000 1.428 125 D CA 0.499 54.487 54.000 -0.020 0.000 1.117 125 D CB -0.364 40.437 40.800 0.002 0.000 1.120 125 D HN 0.203 8.551 8.370 -0.037 0.000 0.543 126 K N 2.556 122.946 120.400 -0.018 0.000 2.524 126 K HA -0.204 4.229 4.320 -0.011 -0.120 0.279 126 K C -0.665 175.933 176.600 -0.004 0.000 0.993 126 K CA 0.139 56.421 56.287 -0.008 0.000 1.030 126 K CB 0.137 32.638 32.500 0.001 0.000 0.891 126 K HN -0.296 7.943 8.250 -0.017 0.000 0.488 127 V N 4.784 124.698 119.914 0.000 0.000 2.540 127 V HA 0.246 4.371 4.120 0.008 0.000 0.302 127 V C -2.300 173.800 176.094 0.009 0.000 1.035 127 V CA -1.967 60.338 62.300 0.008 0.000 0.873 127 V CB 2.865 34.697 31.823 0.014 0.000 0.992 127 V HN 0.366 8.557 8.190 0.001 0.000 0.428 128 A N 7.799 130.624 122.820 0.008 0.000 2.343 128 A HA 0.838 5.367 4.320 -0.009 -0.214 0.316 128 A C -1.182 176.408 177.584 0.010 0.000 1.104 128 A CA -1.666 50.371 52.037 0.000 0.000 0.768 128 A CB 1.782 20.779 19.000 -0.006 0.000 1.213 128 A HN 0.156 8.312 8.150 0.010 0.000 0.456 129 C N 3.185 122.493 119.300 0.013 0.000 2.797 129 C HA 0.381 4.857 4.460 0.025 0.000 0.306 129 C C -1.703 173.309 174.990 0.036 0.000 1.207 129 C CA -1.473 57.563 59.018 0.031 0.000 1.507 129 C CB 2.952 30.726 27.740 0.057 0.000 2.028 129 C HN 0.834 9.063 8.230 -0.002 0.000 0.475 130 K N 5.129 125.557 120.400 0.046 0.000 2.213 130 K HA 0.255 4.780 4.320 0.071 -0.162 0.270 130 K C -1.024 175.636 176.600 0.099 0.000 1.002 130 K CA -0.763 55.564 56.287 0.066 0.000 0.868 130 K CB 1.330 33.856 32.500 0.044 0.000 1.093 130 K HN 0.178 8.451 8.250 0.040 0.000 0.454 131 D N 3.416 123.914 120.400 0.163 0.000 2.518 131 D HA -0.325 4.411 4.640 0.160 0.000 0.270 131 D C 0.312 176.667 176.300 0.091 0.000 1.338 131 D CA 1.484 55.581 54.000 0.161 0.000 0.983 131 D CB 0.193 41.127 40.800 0.222 0.000 1.126 131 D HN 0.071 8.570 8.370 0.216 0.000 0.543 132 G N 6.363 115.207 108.800 0.073 0.000 2.901 132 G HA2 -0.268 3.718 3.960 0.044 0.000 0.194 132 G HA3 -0.268 3.715 3.960 0.038 0.000 0.194 132 G C -0.218 174.703 174.900 0.036 0.000 1.020 132 G CA -0.403 44.725 45.100 0.047 0.000 0.787 132 G HN 0.024 8.366 8.290 0.086 0.000 0.477 133 D N 2.072 122.492 120.400 0.034 0.000 2.378 133 D HA -0.008 4.630 4.640 -0.003 0.000 0.238 133 D C -0.113 176.191 176.300 0.007 0.000 1.180 133 D CA 1.205 55.211 54.000 0.011 0.000 0.895 133 D CB 0.976 41.780 40.800 0.007 0.000 1.192 133 D HN -0.251 8.148 8.370 0.048 0.000 0.438 134 D N -0.527 119.841 120.400 -0.053 0.000 2.352 134 D HA -0.124 4.509 4.640 -0.012 0.000 0.238 134 D C 0.120 176.350 176.300 -0.116 0.000 1.286 134 D CA -0.086 53.845 54.000 -0.115 0.000 0.923 134 D CB 1.081 41.715 40.800 -0.278 0.000 1.146 134 D HN -0.011 8.314 8.370 -0.074 0.000 0.471 135 F N -2.685 117.308 119.950 0.072 0.000 2.623 135 F HA -0.133 4.542 4.527 0.103 -0.086 0.383 135 F C -0.544 175.307 175.800 0.086 0.000 1.077 135 F CA -0.302 57.749 58.000 0.085 0.000 1.268 135 F CB -0.003 39.041 39.000 0.074 0.000 1.053 135 F HN -0.198 8.084 8.300 -0.031 0.000 0.571 136 V N 3.418 123.455 119.914 0.205 0.000 2.834 136 V HA 0.119 4.274 4.120 0.058 0.000 0.301 136 V C -1.045 175.199 176.094 0.250 0.000 1.066 136 V CA -1.279 61.114 62.300 0.154 0.000 1.052 136 V CB 2.834 34.736 31.823 0.132 0.000 1.021 136 V HN 0.602 8.958 8.190 0.277 0.000 0.480 137 Q N 5.853 125.763 119.800 0.183 0.000 2.307 137 Q HA 0.208 4.821 4.340 0.219 -0.141 0.262 137 Q C -1.489 174.571 176.000 0.100 0.000 0.961 137 Q CA -1.294 54.615 55.803 0.178 0.000 0.882 137 Q CB 1.957 30.800 28.738 0.175 0.000 1.264 137 Q HN 0.170 8.512 8.270 0.121 0.000 0.446 138 L N 7.271 128.554 121.223 0.100 0.000 2.371 138 L HA 0.587 4.913 4.340 -0.023 0.000 0.262 138 L C -2.593 174.253 176.870 -0.040 0.000 1.054 138 L CA -3.671 51.186 54.840 0.029 0.000 0.924 138 L CB 2.523 44.642 42.059 0.100 0.000 1.295 138 L HN 0.706 8.918 8.230 0.147 0.107 0.441 139 P HA 0.101 4.557 4.420 -0.136 -0.117 0.275 139 P C -1.232 175.864 177.300 -0.341 0.000 1.228 139 P CA -0.795 62.077 63.100 -0.380 0.000 0.786 139 P CB 0.990 32.048 31.700 -1.071 0.000 0.927 140 I N 0.308 120.778 120.570 -0.167 0.000 2.466 140 I HA 0.533 4.652 4.170 -0.085 0.000 0.289 140 I C -1.648 174.405 176.117 -0.107 0.000 1.026 140 I CA -3.144 58.115 61.300 -0.069 0.000 1.078 140 I CB 3.165 41.247 38.000 0.136 0.000 1.249 140 I HN 0.634 8.796 8.210 -0.079 0.000 0.429 141 P HA 0.112 4.734 4.420 0.073 -0.159 0.282 141 P C -0.447 176.742 177.300 -0.184 0.000 1.286 141 P CA -1.026 62.069 63.100 -0.009 0.000 0.777 141 P CB 0.726 32.466 31.700 0.067 0.000 1.184 142 K N -0.773 119.523 120.400 -0.172 0.000 2.405 142 K HA -0.244 3.820 4.320 -0.427 0.000 0.273 142 K C 0.015 176.529 176.600 -0.143 0.000 1.116 142 K CA 1.091 57.238 56.287 -0.234 0.000 1.155 142 K CB -0.302 32.120 32.500 -0.130 0.000 0.858 142 K HN 0.232 8.427 8.250 -0.093 0.000 0.477 143 L N 8.557 129.665 121.223 -0.192 0.000 2.502 143 L HA 0.263 4.652 4.340 0.083 0.000 0.247 143 L C -2.028 174.958 176.870 0.194 0.000 1.180 143 L CA -0.739 54.149 54.840 0.079 0.000 0.956 143 L CB 1.067 43.289 42.059 0.271 0.000 1.282 143 L HN 0.032 7.959 8.230 -0.506 0.000 0.470 144 T N 5.825 120.444 114.554 0.107 0.000 2.794 144 T HA 0.390 4.856 4.350 0.193 0.000 0.280 144 T C -1.593 173.167 174.700 0.100 0.000 0.987 144 T CA -2.543 59.631 62.100 0.124 0.000 0.993 144 T CB 0.855 69.765 68.868 0.070 0.000 0.939 144 T HN -0.180 8.094 8.240 0.057 0.000 0.449 145 P HA 0.364 4.875 4.420 0.151 0.000 0.274 145 P C -1.119 176.306 177.300 0.208 0.000 1.231 145 P CA -1.381 61.804 63.100 0.141 0.000 0.790 145 P CB -1.267 30.492 31.700 0.098 0.000 0.951 146 P HA -0.065 4.804 4.420 0.502 -0.148 0.215 146 P C 0.372 177.790 177.300 0.196 0.000 1.153 146 P CA 2.078 65.362 63.100 0.308 0.000 0.853 146 P CB 0.262 32.102 31.700 0.234 0.000 0.788 147 D N -6.275 114.201 120.400 0.127 0.000 2.392 147 D HA -0.159 4.649 4.640 0.053 -0.136 0.228 147 D C 0.416 176.757 176.300 0.069 0.000 1.003 147 D CA 0.492 54.535 54.000 0.072 0.000 0.917 147 D CB -1.053 39.773 40.800 0.043 0.000 0.890 147 D HN 0.064 8.510 8.370 0.127 0.000 0.532 148 S N -0.736 115.021 115.700 0.094 0.000 2.576 148 S HA -0.190 4.303 4.470 0.038 0.000 0.272 148 S C -0.030 174.620 174.600 0.084 0.000 1.352 148 S CA 0.253 58.496 58.200 0.071 0.000 1.021 148 S CB 1.221 64.462 63.200 0.069 0.000 0.887 148 S HN -0.522 7.677 8.310 0.131 0.190 0.542 149 E N 1.576 121.804 120.200 0.047 0.000 2.092 149 E HA 0.348 4.935 4.350 0.126 -0.160 0.271 149 E C -0.336 176.327 176.600 0.105 0.000 0.919 149 E CA -1.500 54.944 56.400 0.073 0.000 0.760 149 E CB 0.776 30.461 29.700 -0.025 0.000 1.106 149 E HN 0.101 8.469 8.360 0.013 0.000 0.408 150 I N 6.526 127.206 120.570 0.184 0.000 2.452 150 I HA 0.022 4.220 4.170 0.047 0.000 0.287 150 I C -1.419 174.863 176.117 0.277 0.000 1.079 150 I CA -0.070 61.333 61.300 0.171 0.000 1.387 150 I CB 1.336 39.457 38.000 0.202 0.000 1.404 150 I HN 0.177 8.531 8.210 0.241 0.000 0.522 151 V N 6.139 126.199 119.914 0.243 0.000 2.655 151 V HA 0.075 4.475 4.120 0.467 0.000 0.300 151 V C -1.053 175.180 176.094 0.232 0.000 1.044 151 V CA -0.426 62.061 62.300 0.311 0.000 1.095 151 V CB -0.531 31.453 31.823 0.268 0.000 0.952 151 V HN 0.318 8.571 8.190 0.106 0.000 0.485 152 S N 2.406 118.203 115.700 0.163 0.000 2.579 152 S HA 0.461 5.115 4.470 0.142 -0.098 0.272 152 S C -1.854 172.830 174.600 0.139 0.000 1.141 152 S CA -1.157 57.125 58.200 0.138 0.000 0.843 152 S CB 3.285 66.543 63.200 0.098 0.000 1.122 152 S HN 0.337 8.698 8.310 0.085 0.000 0.468 153 H N 2.809 121.895 119.070 0.025 0.000 2.529 153 H HA 0.513 5.176 4.556 -0.016 -0.116 0.348 153 H C -2.650 172.680 175.328 0.003 0.000 1.079 153 H CA -1.007 55.039 56.048 -0.004 0.000 1.198 153 H CB 4.043 33.789 29.762 -0.026 0.000 1.521 153 H HN 0.549 8.831 8.280 0.184 0.108 0.514 154 L N 8.064 129.021 121.223 -0.443 0.000 2.349 154 L HA 0.640 4.967 4.340 -0.245 -0.134 0.278 154 L C -2.446 174.078 176.870 -0.578 0.000 0.996 154 L CA -1.013 53.610 54.840 -0.362 0.000 0.825 154 L CB 3.322 45.287 42.059 -0.156 0.000 1.243 154 L HN 0.622 8.482 8.230 -0.617 0.000 0.412 155 T N 7.460 121.779 114.554 -0.392 0.000 2.921 155 T HA 0.691 5.019 4.350 -0.322 -0.171 0.297 155 T C -2.712 171.896 174.700 -0.153 0.000 1.013 155 T CA -1.201 60.732 62.100 -0.278 0.000 0.990 155 T CB 2.665 71.414 68.868 -0.197 0.000 1.023 155 T HN 0.677 8.756 8.240 -0.269 0.000 0.447 156 V N 6.643 126.483 119.914 -0.124 0.000 2.638 156 V HA 0.620 4.734 4.120 -0.229 -0.131 0.306 156 V C -3.013 173.010 176.094 -0.118 0.000 1.052 156 V CA -2.279 59.899 62.300 -0.203 0.000 0.885 156 V CB 3.685 35.324 31.823 -0.307 0.000 0.999 156 V HN 0.881 9.009 8.190 -0.103 0.000 0.424 157 R N 7.326 127.715 120.500 -0.186 0.000 2.564 157 R HA 0.463 4.765 4.340 -0.063 0.000 0.284 157 R C -1.434 174.779 176.300 -0.145 0.000 1.031 157 R CA -1.361 54.668 56.100 -0.117 0.000 0.904 157 R CB 4.118 34.343 30.300 -0.126 0.000 1.199 157 R HN 0.417 8.523 8.270 -0.274 0.000 0.443 158 Q N 7.050 126.820 119.800 -0.051 0.000 2.330 158 Q HA -0.074 4.495 4.340 0.150 -0.138 0.279 158 Q C 0.670 176.739 176.000 0.116 0.000 1.024 158 Q CA 1.324 57.177 55.803 0.083 0.000 0.900 158 Q CB 0.518 29.264 28.738 0.014 0.000 1.221 158 Q HN 0.447 8.694 8.270 -0.038 0.000 0.396 159 T N 0.316 114.996 114.554 0.210 0.000 3.219 159 T HA 0.129 4.526 4.350 0.078 0.000 0.249 159 T C -0.125 174.741 174.700 0.277 0.000 1.099 159 T CA 0.077 62.274 62.100 0.162 0.000 0.988 159 T CB 0.126 69.052 68.868 0.096 0.000 0.999 159 T HN 0.388 8.797 8.240 0.282 0.000 0.550 160 H N -0.456 118.710 119.070 0.160 0.000 2.930 160 H HA 0.221 4.896 4.556 0.198 0.000 0.371 160 H C -2.316 173.043 175.328 0.052 0.000 1.169 160 H CA -2.246 53.889 56.048 0.146 0.000 1.157 160 H CB 1.579 31.382 29.762 0.068 0.000 1.789 160 H HN -0.512 7.842 8.280 0.300 0.105 0.547 161 T N 2.561 116.971 114.554 -0.240 0.000 2.902 161 T HA 0.029 3.716 4.350 -1.256 -0.091 0.301 161 T C -1.012 173.381 174.700 -0.513 0.000 1.012 161 T CA -2.554 59.122 62.100 -0.708 0.000 1.151 161 T CB 0.446 68.932 68.868 -0.636 0.000 0.946 161 T HN 0.161 8.408 8.240 0.012 0.000 0.542 162 P HA 0.065 4.033 4.420 -0.754 0.000 0.276 162 P C -1.998 175.029 177.300 -0.454 0.000 1.243 162 P CA -0.358 62.423 63.100 -0.532 0.000 0.768 162 P CB 0.444 31.968 31.700 -0.293 0.000 0.856 163 Y N -2.359 117.828 120.300 -0.189 0.000 2.708 163 Y HA 0.212 4.709 4.550 -0.208 -0.071 0.287 163 Y C -0.629 175.158 175.900 -0.188 0.000 1.145 163 Y CA -3.700 54.288 58.100 -0.188 0.000 1.249 163 Y CB -0.280 38.087 38.460 -0.156 0.000 1.152 163 Y HN -0.140 7.488 8.280 -1.087 0.000 0.532 164 D N 0.388 120.809 120.400 0.036 0.000 2.378 164 D HA -0.228 4.392 4.640 -0.033 0.000 0.238 164 D C -0.126 176.153 176.300 -0.034 0.000 1.180 164 D CA 0.574 54.568 54.000 -0.009 0.000 0.895 164 D CB 1.101 41.908 40.800 0.012 0.000 1.192 164 D HN -0.712 7.555 8.370 -0.042 0.078 0.438 165 Y N 0.197 120.499 120.300 0.003 0.000 2.802 165 Y HA -0.310 4.215 4.550 -0.041 0.000 0.351 165 Y C 1.122 177.004 175.900 -0.030 0.000 1.237 165 Y CA 0.779 58.864 58.100 -0.026 0.000 1.599 165 Y CB -1.054 37.391 38.460 -0.025 0.000 1.214 165 Y HN 0.222 8.547 8.280 0.074 0.000 0.520 166 V N 6.046 126.032 119.914 0.120 0.000 2.237 166 V HA -0.285 3.880 4.120 0.075 0.000 0.245 166 V C 0.472 176.595 176.094 0.048 0.000 1.046 166 V CA 2.399 64.747 62.300 0.080 0.000 1.007 166 V CB 0.545 32.429 31.823 0.102 0.000 0.638 166 V HN 0.133 8.384 8.190 0.102 0.000 0.445 167 V N -9.109 110.809 119.914 0.007 0.000 3.012 167 V HA 0.326 4.411 4.120 -0.059 0.000 0.307 167 V C -2.451 173.552 176.094 -0.152 0.000 1.166 167 V CA -2.589 59.664 62.300 -0.078 0.000 0.974 167 V CB 2.652 34.391 31.823 -0.140 0.000 1.040 167 V HN -0.591 7.609 8.190 0.016 0.000 0.428 168 N N 4.043 122.615 118.700 -0.213 0.000 2.430 168 N HA 0.489 5.130 4.740 -0.383 -0.132 0.290 168 N C -1.054 174.296 175.510 -0.267 0.000 1.063 168 N CA -0.687 52.175 53.050 -0.313 0.000 0.883 168 N CB 2.266 40.506 38.487 -0.411 0.000 1.465 168 N HN 0.083 8.361 8.380 -0.171 0.000 0.493 169 G N 3.892 112.481 108.800 -0.352 0.000 2.619 169 G HA2 0.371 4.255 3.960 -0.127 0.000 0.305 169 G HA3 0.371 4.269 3.960 -0.249 -0.086 0.305 169 G C -2.487 172.279 174.900 -0.223 0.000 1.330 169 G CA -0.028 44.931 45.100 -0.235 0.000 0.789 169 G HN 0.708 8.677 8.290 -0.534 0.000 0.487 170 S N -0.893 114.759 115.700 -0.079 0.000 2.648 170 S HA 0.777 5.322 4.470 -0.036 -0.097 0.305 170 S C -2.096 172.496 174.600 -0.013 0.000 1.094 170 S CA -0.725 57.439 58.200 -0.060 0.000 0.983 170 S CB 3.245 66.384 63.200 -0.101 0.000 1.101 170 S HN 0.341 8.494 8.310 -0.057 0.123 0.514 171 V N -1.073 118.789 119.914 -0.086 0.000 3.159 171 V HA 0.372 4.449 4.120 -0.071 0.000 0.308 171 V C -2.993 172.982 176.094 -0.199 0.000 1.190 171 V CA -2.447 59.840 62.300 -0.022 0.000 1.037 171 V CB 3.923 35.939 31.823 0.322 0.000 1.060 171 V HN 0.656 8.677 8.190 -0.110 0.103 0.437 172 Y N -0.538 119.882 120.300 0.201 0.000 2.406 172 Y HA 0.565 5.440 4.550 0.271 -0.162 0.340 172 Y C -0.860 175.201 175.900 0.268 0.000 0.975 172 Y CA -2.295 55.936 58.100 0.218 0.000 1.056 172 Y CB 2.769 41.288 38.460 0.098 0.000 1.210 172 Y HN -0.098 8.252 8.280 0.117 0.000 0.448 173 F N 1.899 121.978 119.950 0.216 0.000 2.470 173 F HA 0.670 5.389 4.527 0.115 -0.122 0.329 173 F C -1.129 174.769 175.800 0.163 0.000 1.072 173 F CA -1.654 56.453 58.000 0.178 0.000 0.989 173 F CB 3.820 42.966 39.000 0.243 0.000 1.193 173 F HN 0.430 9.108 8.300 0.630 0.000 0.481 174 K N -0.165 120.407 120.400 0.288 0.000 2.502 174 K HA 0.552 5.136 4.320 0.216 -0.134 0.257 174 K C -2.622 174.056 176.600 0.131 0.000 0.938 174 K CA -1.279 55.115 56.287 0.179 0.000 0.819 174 K CB 4.725 37.266 32.500 0.067 0.000 1.333 174 K HN 0.694 9.083 8.250 0.233 0.000 0.434 175 Y N 5.084 125.335 120.300 -0.083 0.000 2.509 175 Y HA 0.684 5.216 4.550 -0.289 -0.156 0.341 175 Y C -2.173 173.564 175.900 -0.271 0.000 1.038 175 Y CA -1.945 55.961 58.100 -0.323 0.000 1.089 175 Y CB 4.422 42.394 38.460 -0.814 0.000 1.241 175 Y HN -0.259 8.120 8.280 0.165 0.000 0.468 176 S N 2.961 118.269 115.700 -0.653 0.000 2.779 176 S HA 0.586 4.978 4.470 -0.129 0.000 0.293 176 S C -2.200 172.185 174.600 -0.359 0.000 1.150 176 S CA -2.675 55.321 58.200 -0.340 0.000 1.057 176 S CB 2.139 65.175 63.200 -0.273 0.000 1.021 176 S HN 0.506 7.999 8.310 -1.362 0.000 0.485 177 P HA 0.124 4.687 4.420 0.238 0.000 0.231 177 P C 0.970 178.312 177.300 0.070 0.000 1.168 177 P CA 1.173 64.351 63.100 0.130 0.000 0.779 177 P CB -0.066 31.767 31.700 0.223 0.000 0.844 178 T N 1.558 116.115 114.554 0.005 0.000 2.680 178 T HA -0.254 4.140 4.350 0.073 0.000 0.268 178 T C 0.811 175.478 174.700 -0.055 0.000 1.033 178 T CA 2.868 64.973 62.100 0.008 0.000 1.152 178 T CB 0.058 68.904 68.868 -0.037 0.000 0.859 178 T HN 0.255 8.446 8.240 -0.019 0.038 0.452 179 T N -5.252 109.165 114.554 -0.228 0.000 3.641 179 T HA 0.279 3.901 4.350 -1.213 0.000 0.313 179 T C -0.397 174.168 174.700 -0.226 0.000 0.952 179 T CA -0.976 60.779 62.100 -0.574 0.000 1.004 179 T CB 0.893 69.431 68.868 -0.551 0.000 1.209 179 T HN -0.704 7.399 8.240 -0.202 0.016 0.493 180 G N 0.877 109.595 108.800 -0.136 0.000 2.390 180 G HA2 -0.568 3.257 3.960 -0.294 0.000 0.299 180 G HA3 -0.568 3.484 3.960 0.154 0.000 0.299 180 G C -1.391 173.324 174.900 -0.309 0.000 1.002 180 G CA 1.070 46.097 45.100 -0.121 0.000 0.979 180 G HN -0.432 7.675 8.290 -0.099 0.123 0.513 181 Q N -1.279 118.206 119.800 -0.526 0.000 2.261 181 Q HA 0.177 4.416 4.340 -0.357 -0.113 0.252 181 Q C -1.086 174.532 176.000 -0.636 0.000 0.915 181 Q CA -0.996 54.528 55.803 -0.465 0.000 0.915 181 Q CB 1.848 30.373 28.738 -0.356 0.000 1.204 181 Q HN -0.551 7.371 8.270 -0.576 0.003 0.421 182 V N 7.170 126.858 119.914 -0.377 0.000 2.547 182 V HA 0.637 4.792 4.120 -0.214 -0.163 0.299 182 V C -0.040 176.086 176.094 0.053 0.000 1.040 182 V CA -1.528 60.681 62.300 -0.150 0.000 0.913 182 V CB 1.524 33.349 31.823 0.003 0.000 0.992 182 V HN -0.003 7.995 8.190 -0.319 0.000 0.449 183 T N 6.755 121.355 114.554 0.077 0.000 2.916 183 T HA 0.263 4.608 4.350 -0.010 0.000 0.298 183 T C -1.995 172.590 174.700 -0.191 0.000 1.031 183 T CA -0.835 61.244 62.100 -0.036 0.000 0.993 183 T CB 2.726 71.532 68.868 -0.104 0.000 1.045 183 T HN 0.735 9.006 8.240 0.052 0.000 0.454 184 V N 1.724 121.326 119.914 -0.520 0.000 2.513 184 V HA 0.774 4.736 4.120 -0.519 -0.154 0.299 184 V C -2.048 173.793 176.094 -0.422 0.000 1.035 184 V CA -2.358 59.527 62.300 -0.691 0.000 0.889 184 V CB 1.147 32.166 31.823 -1.339 0.000 0.988 184 V HN 0.305 8.170 8.190 -0.541 0.000 0.440 185 I N 6.326 126.762 120.570 -0.223 0.000 2.362 185 I HA 0.253 4.328 4.170 -0.158 0.000 0.289 185 I C -1.686 174.414 176.117 -0.028 0.000 0.994 185 I CA -0.906 60.339 61.300 -0.092 0.000 1.158 185 I CB 1.875 39.875 38.000 -0.001 0.000 1.315 185 I HN 0.927 8.944 8.210 -0.143 0.108 0.451 186 K N 5.660 125.982 120.400 -0.129 0.000 2.541 186 K HA 0.270 4.553 4.320 -0.062 0.000 0.250 186 K C -1.183 175.408 176.600 -0.015 0.000 0.950 186 K CA -0.742 55.438 56.287 -0.179 0.000 0.805 186 K CB 2.393 34.474 32.500 -0.698 0.000 1.166 186 K HN 0.233 8.393 8.250 -0.151 0.000 0.430 187 K N 3.069 123.540 120.400 0.119 0.000 2.385 187 K HA 0.369 4.734 4.320 0.074 0.000 0.248 187 K C -0.712 175.977 176.600 0.149 0.000 0.955 187 K CA -1.332 55.027 56.287 0.120 0.000 0.816 187 K CB 3.137 35.719 32.500 0.137 0.000 1.250 187 K HN -0.046 8.311 8.250 0.178 0.000 0.434 188 D N 0.888 121.353 120.400 0.109 0.000 2.309 188 D HA -0.272 4.585 4.640 0.117 -0.147 0.212 188 D C 1.169 177.519 176.300 0.083 0.000 0.968 188 D CA 2.564 56.622 54.000 0.096 0.000 0.882 188 D CB 0.470 41.309 40.800 0.065 0.000 0.918 188 D HN 0.425 8.844 8.370 0.083 0.000 0.503 189 E N -4.468 115.788 120.200 0.092 0.000 2.347 189 E HA -0.186 4.203 4.350 0.065 0.000 0.196 189 E C 0.422 177.076 176.600 0.089 0.000 1.008 189 E CA 1.723 58.175 56.400 0.087 0.000 0.852 189 E CB -0.168 29.590 29.700 0.097 0.000 0.783 189 E HN 0.097 8.471 8.360 0.101 0.047 0.505 190 T N -5.026 109.592 114.554 0.107 0.000 3.313 190 T HA 0.188 4.561 4.350 0.038 0.000 0.266 190 T C 0.201 174.949 174.700 0.080 0.000 0.987 190 T CA -0.141 62.000 62.100 0.068 0.000 1.086 190 T CB 2.123 70.996 68.868 0.008 0.000 1.159 190 T HN -0.323 7.840 8.240 0.138 0.159 0.450 191 F N 5.857 125.787 119.950 -0.032 0.000 2.399 191 F HA 0.470 5.033 4.527 -0.043 -0.062 0.342 191 F C -1.909 173.886 175.800 -0.008 0.000 1.106 191 F CA -1.040 56.945 58.000 -0.024 0.000 1.196 191 F CB 1.796 40.792 39.000 -0.006 0.000 1.163 191 F HN 0.116 8.579 8.300 0.272 0.000 0.547 192 P HA 0.073 4.437 4.420 -0.094 0.000 0.274 192 P C -1.141 176.136 177.300 -0.038 0.000 1.246 192 P CA -0.903 62.082 63.100 -0.192 0.000 0.795 192 P CB 1.661 33.194 31.700 -0.278 0.000 1.006 193 K N -1.077 119.325 120.400 0.003 0.000 2.417 193 K HA -0.017 4.360 4.320 0.096 0.000 0.196 193 K C -0.655 175.967 176.600 0.037 0.000 1.023 193 K CA 0.437 56.752 56.287 0.048 0.000 1.122 193 K CB -0.035 32.487 32.500 0.037 0.000 0.850 193 K HN 0.289 8.528 8.250 -0.018 0.000 0.521 194 N N -3.387 115.317 118.700 0.007 0.000 2.407 194 N HA 0.053 4.807 4.740 0.023 0.000 0.182 194 N C -1.247 174.286 175.510 0.038 0.000 1.079 194 N CA 0.627 53.685 53.050 0.014 0.000 0.882 194 N CB 0.743 39.227 38.487 -0.005 0.000 1.106 194 N HN -0.195 8.073 8.380 -0.036 0.091 0.461 195 M N -1.143 118.481 119.600 0.040 0.000 2.508 195 M HA 0.566 5.291 4.480 0.139 -0.163 0.327 195 M C -1.774 174.700 176.300 0.291 0.000 1.160 195 M CA -0.648 54.734 55.300 0.137 0.000 0.980 195 M CB 4.047 36.709 32.600 0.103 0.000 1.693 195 M HN -0.758 7.520 8.290 -0.020 0.000 0.452 196 T N -0.418 114.322 114.554 0.309 0.000 2.901 196 T HA 0.333 4.967 4.350 0.473 0.000 0.293 196 T C -2.330 172.491 174.700 0.201 0.000 1.084 196 T CA -1.739 60.537 62.100 0.294 0.000 1.008 196 T CB 3.033 71.973 68.868 0.119 0.000 1.170 196 T HN 0.439 8.825 8.240 0.244 0.000 0.509 197 V N 2.619 122.500 119.914 -0.055 0.000 2.531 197 V HA 0.458 4.636 4.120 -0.218 -0.190 0.301 197 V C -1.649 174.252 176.094 -0.323 0.000 1.034 197 V CA -1.790 60.308 62.300 -0.335 0.000 0.865 197 V CB 3.205 34.466 31.823 -0.937 0.000 0.995 197 V HN 0.301 8.411 8.190 -0.133 0.000 0.424 198 T N 7.275 121.699 114.554 -0.217 0.000 2.867 198 T HA 0.356 4.596 4.350 -0.183 0.000 0.282 198 T C -1.503 173.123 174.700 -0.123 0.000 1.000 198 T CA -2.117 59.888 62.100 -0.159 0.000 1.042 198 T CB 1.485 70.299 68.868 -0.091 0.000 0.973 198 T HN -0.059 8.077 8.240 -0.174 0.000 0.465 199 Q N 8.241 127.980 119.800 -0.101 0.000 2.664 199 Q HA -0.012 4.548 4.340 0.146 -0.133 0.223 199 Q C -0.423 175.547 176.000 -0.050 0.000 1.298 199 Q CA 0.059 55.857 55.803 -0.008 0.000 0.965 199 Q CB -0.466 28.254 28.738 -0.031 0.000 1.510 199 Q HN 0.557 8.750 8.270 -0.128 0.000 0.567 200 D N 5.411 125.785 120.400 -0.044 0.000 2.149 200 D HA -0.209 4.389 4.640 -0.069 0.000 0.198 200 D C -0.105 176.129 176.300 -0.111 0.000 0.990 200 D CA 2.028 55.986 54.000 -0.070 0.000 0.839 200 D CB 0.643 41.412 40.800 -0.051 0.000 0.948 200 D HN -0.107 8.228 8.370 -0.009 0.029 0.460 201 D N -4.658 115.655 120.400 -0.144 0.000 2.643 201 D HA 0.126 4.644 4.640 -0.204 0.000 0.283 201 D C -1.872 174.268 176.300 -0.266 0.000 1.242 201 D CA -0.731 53.146 54.000 -0.206 0.000 0.863 201 D CB 2.849 43.522 40.800 -0.211 0.000 1.382 201 D HN -0.730 7.545 8.370 -0.128 0.018 0.444 202 N N 0.905 119.388 118.700 -0.361 0.000 2.359 202 N HA -0.353 4.163 4.740 -0.374 0.000 0.261 202 N C 0.681 175.943 175.510 -0.413 0.000 1.267 202 N CA 1.967 54.749 53.050 -0.448 0.000 0.864 202 N CB 0.302 38.339 38.487 -0.750 0.000 1.063 202 N HN 0.257 8.304 8.380 -0.387 0.101 0.474 203 T N -0.018 114.272 114.554 -0.441 0.000 4.543 203 T HA -0.567 3.392 4.350 -0.653 0.000 0.313 203 T C -2.084 172.244 174.700 -0.620 0.000 1.051 203 T CA 2.203 64.002 62.100 -0.501 0.000 2.160 203 T CB -0.899 67.844 68.868 -0.208 0.000 1.904 203 T HN 0.716 8.715 8.240 -0.401 0.000 0.924 204 S N -0.604 114.690 115.700 -0.676 0.000 2.733 204 S HA 0.646 5.053 4.470 -0.413 -0.185 0.294 204 S C -2.093 172.353 174.600 -0.256 0.000 1.149 204 S CA -1.024 56.907 58.200 -0.447 0.000 1.034 204 S CB 1.704 64.740 63.200 -0.273 0.000 1.015 204 S HN -0.656 7.251 8.310 -0.599 0.043 0.486 205 F N 6.380 126.261 119.950 -0.115 0.000 2.507 205 F HA 0.572 5.101 4.527 -0.274 -0.166 0.328 205 F C -1.574 174.116 175.800 -0.182 0.000 1.136 205 F CA -3.011 54.850 58.000 -0.232 0.000 0.930 205 F CB 3.223 42.021 39.000 -0.336 0.000 1.166 205 F HN 0.792 9.040 8.300 -0.086 0.000 0.436 206 I N 1.766 122.323 120.570 -0.021 0.000 2.437 206 I HA 0.342 4.757 4.170 0.164 -0.147 0.279 206 I C -0.885 175.248 176.117 0.027 0.000 1.028 206 I CA -2.046 59.285 61.300 0.052 0.000 1.142 206 I CB 0.215 38.247 38.000 0.054 0.000 1.266 206 I HN 0.621 8.798 8.210 -0.056 0.000 0.461 207 F N 8.180 128.213 119.950 0.138 0.000 2.467 207 F HA 0.110 4.896 4.527 0.134 -0.180 0.362 207 F C -0.774 175.094 175.800 0.113 0.000 1.090 207 F CA -0.003 58.084 58.000 0.145 0.000 1.202 207 F CB 0.487 39.606 39.000 0.198 0.000 1.113 207 F HN 0.808 9.397 8.300 0.482 0.000 0.541 208 N N 2.350 121.202 118.700 0.254 0.000 2.354 208 N HA 0.664 5.698 4.740 0.112 -0.227 0.287 208 N C -1.331 174.247 175.510 0.113 0.000 1.016 208 N CA -1.208 51.924 53.050 0.136 0.000 0.871 208 N CB 3.151 41.683 38.487 0.075 0.000 1.299 208 N HN 0.944 9.477 8.380 0.255 0.000 0.482 209 L N 3.378 124.619 121.223 0.029 0.000 2.268 209 L HA 0.285 4.666 4.340 0.068 0.000 0.289 209 L C -1.208 175.649 176.870 -0.023 0.000 1.064 209 L CA -0.871 53.968 54.840 -0.003 0.000 0.824 209 L CB 0.131 42.101 42.059 -0.147 0.000 1.202 209 L HN -0.170 8.043 8.230 -0.029 0.000 0.433 210 N N 4.571 123.279 118.700 0.014 0.000 2.204 210 N HA 0.085 4.821 4.740 -0.006 0.000 0.219 210 N C -0.337 175.178 175.510 0.008 0.000 1.151 210 N CA -0.032 53.023 53.050 0.008 0.000 0.867 210 N CB 1.339 39.839 38.487 0.022 0.000 1.043 210 N HN 0.597 9.002 8.380 0.040 0.000 0.516 211 S N -0.994 114.713 115.700 0.011 0.000 2.481 211 S HA 0.030 4.506 4.470 0.010 0.000 0.262 211 S C -1.482 173.134 174.600 0.026 0.000 1.061 211 S CA 0.139 58.347 58.200 0.015 0.000 1.039 211 S CB 0.852 64.061 63.200 0.016 0.000 1.170 211 S HN -0.813 7.443 8.310 0.014 0.062 0.437 212 E N 5.401 125.617 120.200 0.027 0.000 2.268 212 E HA -0.188 4.210 4.350 0.081 0.000 0.195 212 E C 0.123 176.751 176.600 0.047 0.000 0.995 212 E CA 2.246 58.677 56.400 0.051 0.000 0.836 212 E CB 0.435 30.161 29.700 0.043 0.000 0.763 212 E HN 0.336 8.706 8.360 0.017 0.000 0.491 213 K N 0.000 120.416 120.400 0.027 0.000 2.780 213 K HA 0.000 4.330 4.320 0.017 0.000 0.191 213 K CA 0.000 56.299 56.287 0.019 0.000 0.838 213 K CB 0.000 32.507 32.500 0.011 0.000 1.064 213 K HN 0.000 8.223 8.250 0.022 0.040 0.543